Vitas-M small molecule compound
methyl 2-{(3E)-2-[3-(benzyloxy)phenyl]-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL051368
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)OCc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H26N2O8S MW 598.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N2O8S/c1-18-29(31(38)39-2)43-32(33-18)34-26(20-9-6-10-22(15-20)42-17-19-7-4-3-5-8-19)25(28(36)30(34)37)27(35)21-11-12-23-24(16-21)41-14-13-40-23/h3-12,15-16,26,35H,13-14,17H2,1-2H3/b27-25+InChIKey
OWWCEHCYCLULOR-IMVLJIQESA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=CC=C5)OCC6=CC=CC=C6)C(=O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)OCc1ccccc1
InChI=1SC32H26N2O8Sc11829(31(38)392)4332(3318)3426(20961022(1520)4217197435819)25(28(36)30(34)37)27(35)2111122324(1621)4114134023h31215162635H131417H212H3b2725+
methyl2((3E)2(3(benzyloxy)phenyl)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)23DIOXO5(3PHENYLMETHOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05729224
ZINC000102888147
ZINC000102888148
Check stock
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Check stock on Vitas-MAvailable files
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